Molecular Simulations Scientist for Drug Discovery

AQEMIA; Paris; Hybrid; EUR 75,000 - 110,000; Full time

Benefits offered by this job

Flexible remote days

Job summary

AQEMIA is seeking an Application Scientist in the Molecular Simulations Team to join our Paris/London offices. You will apply, implement and improve our physics-based simulation methods to support medicinal and computational chemistry in drug discovery.

Join a world-class, interdisciplinary team tackling challenging problems at the frontier of molecular simulation. Flexible work arrangements include up to two remote days per week, with strong growth opportunities across oncology, CNS, and

Qualifications

• MSc or PhD in Computational Chemistry, Biophysics, Statistical Mechanics or related field.
• Hands-on experience with Molecular Dynamics and free energy methods.
• Proficiency in Python and simulation tools.

Responsibilities

• Execute molecular simulations (e.g., free energy calculations, Molecular Dynamics) to support drug discovery programs.
• Analyse simulation results to generate insights for project teams.
• Collaborate with computational chemists, biologists, AI researchers and medicinal chemists to design simulation strategies.
• Contribute to optimisation of internal protocols and workflows.
• Document and present findings to multidisciplinary teams.

Skills

Molecular Dynamics

Free energy methods

Python

GROMACS

OpenMM

Collaboration

Education

MSc or PhD in Computational Chemistry, Biophysics, Statistical Mechanics

Tools

GROMACS

AMBER

OpenMM

Job description

AQEMIA is seeking an Application Scientist in the Molecular Simulations Team to join our Paris/London offices. You will apply, implement and improve our physics-based simulation methods to support medicinal and computational chemistry in drug discovery.

Join a world-class, interdisciplinary team tackling challenging problems at the frontier of molecular simulation. Flexible work arrangements include up to two remote days per week, with strong growth opportunities across oncology, CNS, and